Molecular Properties | |
SMILES: | O=C(Cc1c[nH]c2ncccc12)N1CCN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1 |
MW: | 448.502 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 97.12 |
cLogP: | 2.8223 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-10572812-8
0.755
MAK-UNK-10572812-7
0.664
MAK-UNK-10572812-6
0.618
MAK-UNK-10572812-2
0.617
MAK-UNK-10572812-1
0.582
MAK-UNK-10572812-16
0.578
MAK-UNK-10572812-17
0.560
MAK-UNK-10572812-14
0.559
MAK-UNK-10572812-10
0.554
MAK-UNK-10572812-13
0.550
MAK-UNK-10572812-15
0.541
MAK-UNK-10572812-12
0.532
AAR-POS-d2a4d1df-20
0.527
MAK-UNK-10572812-3
0.522
MAK-UNK-10572812-11
0.513
IND-SYN-3aa4e743-1
0.511
IND-SYN-6c8299e8-5
0.511
SWA-SYN-d2e6fa14-4
0.485
SWA-SYN-6423ea73-4
0.485
SWA-SYN-6423ea73-10
0.476
SWA-SYN-d2e6fa14-9
0.476
NIC-BIO-25446079-2
0.474
NIC-BIO-25446079-4
0.464
NAU-LAT-81109c57-8
0.463
AAR-POS-d2a4d1df-2
0.462
MAK-UNK-de8f6d00-7
0.447
MAK-UNK-be5ffcbc-8
0.447
MAK-UNK-be5ffcbc-1
0.446
NAU-LAT-81109c57-1
0.443
NAU-LAT-81109c57-4
0.442
NAU-LAT-81109c57-2
0.441
SAD-SAT-f25ee457-5
0.436
MAK-UNK-de8f6d00-8
0.434
MAK-UNK-de8f6d00-3
0.434
MAK-UNK-be5ffcbc-7
0.433
MAR-TRE-3159af1a-37
0.433
MAR-TRE-3159af1a-90
0.433
MAR-TRE-3159af1a-70
0.427
MAK-UNK-de8f6d00-2
0.426
MAK-UNK-37f1d6fa-7
0.417
MAK-UNK-de8f6d00-1
0.417
MAK-UNK-37f1d6fa-1
0.415
NIC-BIO-ec630548-4
0.415
MAK-UNK-37f1d6fa-2
0.414
MAK-UNK-be5ffcbc-3
0.411
MAK-UNK-37f1d6fa-6
0.410
NIC-BIO-29f4a211-1
0.408
NIC-BIO-ec630548-2
0.406
MAR-TRE-3159af1a-40
0.406
NAU-LAT-81109c57-7
0.404
MAK-UNK-de8f6d00-6
0.403
FRA-LAB-04e32718-1
0.402
SAD-SAT-f25ee457-10
0.402
MAK-UNK-37f1d6fa-4
0.398
NIC-BIO-29f4a211-2
0.396
NIC-BIO-ec630548-1
0.396
MAK-UNK-de8f6d00-5
0.395
NIC-BIO-f814dd3d-1
0.389
TAM-UNI-c140e31a-5
0.389
MAK-UNK-37f1d6fa-3
0.388
MAR-TRE-3159af1a-2
0.386
NIC-BIO-ec630548-3
0.385
MAR-TRE-3159af1a-66
0.385
MAR-TRE-3159af1a-16
0.379
TAM-UNI-c140e31a-8
0.379
MAR-TRE-3159af1a-21
0.376
NIC-BIO-25446079-3
0.375
ASH-UNK-40b46b30-18
0.374
NIC-BIO-96ee2ca4-1
0.372
SAN-PRS-3c4a6997-4
0.371
MAR-TRE-3159af1a-1
0.371
MAR-TRE-7f7bb9f0-83
0.368
NIC-BIO-96ee2ca4-2
0.367
ASH-UNK-40b46b30-14
0.364
MAK-UNK-10572812-4
0.362
GAB-FRA-261eb2a6-1
0.361
NIC-BIO-25446079-1
0.359
NIC-UNI-f08e2453-1
0.359
TAM-UNI-c140e31a-4
0.359
MAK-UNK-176ca439-5
0.358
MAK-UNK-72b7ba6b-1
0.358
TAM-UNI-c140e31a-17
0.353
TAM-UNI-c140e31a-18
0.353
MAR-TRE-3159af1a-44
0.353
MAR-TRE-3159af1a-33
0.352
ABI-SAT-30e287c1-2
0.351
TRY-UNI-1fd04853-5
0.349
TRY-UNI-1fd04853-11
0.349
MAR-TRE-3159af1a-75
0.347
TRY-UNI-1fd04853-9
0.346
MAR-TRE-3159af1a-9
0.340
TRY-UNI-1fd04853-8
0.340
TRY-UNI-1fd04853-12
0.339
MAR-TRE-3159af1a-41
0.339
MAR-UCB-195bc32d-13
0.337
TRY-UNI-1fd04853-7
0.337
MAR-TRE-3159af1a-8
0.337
MAR-TRE-3159af1a-84
0.336
MAR-TRE-3159af1a-99
0.336
KAL-WAB-eb347ebe-1
0.333